N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine

C17H35N3 — CID 63168780

IUPACN-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C17H35N3/c1-16(2,3)18-13-17(4,5)14-19-11-8-15(12-19)20-9-6-7-10-20/h15,18H,6-14H2,1-5H3
InChIKeyDJCVQSZDXWBHKF-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds5

About N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine

N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine (PubChem CID 63168780) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
PubChem CID63168780
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C17H35N3/c1-16(2,3)18-13-17(4,5)14-19-11-8-15(12-19)20-9-6-7-10-20/h15,18H,6-14H2,1-5H3
InChIKeyDJCVQSZDXWBHKF-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79924588
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79945391
N-tert-butyl-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62263552
N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070541
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 55249989
3-pyrrolidin-1-yl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 175318874
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol
CID 114800051
N,3,3-trimethyl-4-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-amine
CID 66453022
2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64789657
2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine
CID 61387313
2-methyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]butanal
CID 55158758
2-amino-2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanenitrile
CID 63165465

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine (CID 63168780) is N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine is CC(C)(CNC(C)(C)C)CN1CCC(N2CCCC2)C1.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is DJCVQSZDXWBHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2,3)18-13-17(4,5)14-19-11-8-15(12-19)20-9-6-7-10-20/h15,18H,6-14H2,1-5H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine?
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 63168780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).